[4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

C14H23N3O3 — CID 74230809

IUPAC[4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCOCCCCN1CCN(C(=O)c2ncoc2C)CC1
InChIInChI=1S/C14H23N3O3/c1-12-13(15-11-20-12)14(18)17-8-6-16(7-9-17)5-3-4-10-19-2/h11H,3-10H2,1-2H3
InChIKeyPIQDLBQPFMUQET-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.17
Rot. Bonds6

About [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

[4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 74230809) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID74230809
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCOCCCCN1CCN(C(=O)c2ncoc2C)CC1
InChIInChI=1S/C14H23N3O3/c1-12-13(15-11-20-12)14(18)17-8-6-16(7-9-17)5-3-4-10-19-2/h11H,3-10H2,1-2H3
InChIKeyPIQDLBQPFMUQET-UHFFFAOYSA-N
XLogP1.17
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (CID 74230809) is [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is COCCCCN1CCN(C(=O)c2ncoc2C)CC1.
What is the InChIKey of [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is PIQDLBQPFMUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12-13(15-11-20-12)14(18)17-8-6-16(7-9-17)5-3-4-10-19-2/h11H,3-10H2,1-2H3.
What are the key properties of [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
[4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybutyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 74230809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).